CID 145740399

Columbamide c

Structural Information

Molecular Formula
C21H39Cl2NO3
SMILES
CN([C@H](CO)COC)C(=O)CC/C=C/CCCCC(CCCCCCCl)Cl
InChI
InChI=1S/C21H39Cl2NO3/c1-24(20(17-25)18-27-2)21(26)15-11-6-4-3-5-9-13-19(23)14-10-7-8-12-16-22/h4,6,19-20,25H,3,5,7-18H2,1-2H3/b6-4+/t19?,20-/m1/s1
InChIKey
HFTYBOHUADLAJY-KRTLOWCSSA-N
Compound name
(E)-10,16-dichloro-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-N-methylhexadec-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.2307 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.23798 208.2
[M+Na]+ 446.21992 209.5
[M-H]- 422.22342 205.7
[M+NH4]+ 441.26452 219.6
[M+K]+ 462.19386 203.7
[M+H-H2O]+ 406.22796 202.7
[M+HCOO]- 468.22890 216.2
[M+CH3COO]- 482.24455 230.2
[M+Na-2H]- 444.20537 202.0
[M]+ 423.23015 217.6
[M]- 423.23125 217.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.